2-methoxyethyl 4-[[3-(3-ethoxy-3-oxidanylidene-1-piperazin-1-yl-propyl)phenyl]amino]-3-nitro-benzoate

Systemtic Name: 2-methoxyethyl 4-[[3-(3-ethoxy-3-oxidanylidene-1-piperazin-1-yl-propyl)phenyl]amino]-3-nitro-benzoate Openeye Name: 2-methoxyethyl 4-[3-(3-ethoxy-3-oxo-1-piperazin-1-yl-propyl)anilino]-3-nitro-benzoate CAS Name: 4-[3-[3-ethoxy-3-oxo-1-(1-piperazinyl)propyl]anilino]-3-nitrobenzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[3-(3-ethoxy-3-oxo-1-piperazin-1-ylpropyl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(3-ethoxy-3-keto-1-piperazino-propyl)anilino]-3-nitro-benzoic acid 2-methoxyethyl ester Formula: C25H32N4O7 MolecularWeight: 500.54418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC=C1)NC2=C(C=C(C=C2)C(=O)OCCOC)[N+](=O)[O-])N3CCNCC3

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC=C1)NC2=C(C=C(C=C2)C(=O)OCCOC)[N+](=O)[O-])N3CCNCC3

InChI

InChI=1S/C25H32N4O7/c1-3-35-24(30)17-22(28-11-9-26-10-12-28)18-5-4-6-20(15-18)27-21-8-7-19(16-23(21)29(32)33)25(31)36-14-13-34-2/h4-8,15-16,22,26-27H,3,9-14,17H2,1-2H3